1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten

C25H43N4O2W- — CID 145470600

IUPAC1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten
SMILESCC.Nc1cc(CN2CCC(O)CC2)ccn1.O=C(C1CCCCC1)C1CC[N-]CC1.[W]
InChIInChI=1S/C12H20NO.C11H17N3O.C2H6.W/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;12-11-7-9(1-4-13-11)8-14-5-2-10(15)3-6-14;1-2;/h10-11H,1-9H2;1,4,7,10,15H,2-3,5-6,8H2,(H2,12,13);1-2H3;/q-1;;;
InChIKeyKVAGZCCSBICEDU-UHFFFAOYSA-N
MW615.49 g/mol
LogP4.56
Rot. Bonds4

About 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten

1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten (PubChem CID 145470600) has the molecular formula C25H43N4O2W- and a molecular weight of 615.49 g/mol. Its IUPAC name is 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten.

Molecular Properties

Compound Name1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten
PubChem CID145470600
Molecular FormulaC25H43N4O2W-
Molecular Weight615.49 g/mol
Exact Mass615.29
IUPAC Name1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten
SMILESCC.Nc1cc(CN2CCC(O)CC2)ccn1.O=C(C1CCCCC1)C1CC[N-]CC1.[W]
InChIInChI=1S/C12H20NO.C11H17N3O.C2H6.W/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;12-11-7-9(1-4-13-11)8-14-5-2-10(15)3-6-14;1-2;/h10-11H,1-9H2;1,4,7,10,15H,2-3,5-6,8H2,(H2,12,13);1-2H3;/q-1;;;
InChIKeyKVAGZCCSBICEDU-UHFFFAOYSA-N
XLogP4.56
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten with MolForge

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Launch Full Analysis

Related Compounds

[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-cyclohexylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[N-methoxy-C-(1-methylpyrrol-2-yl)carbonimidoyl]piperidin-1-yl]methanone;2-methylbutane
CID 145470719
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-4-(cyclohexylamino)piperidine-4-carboxamide;ethane
CID 143382692
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[N-methoxy-C-(4-methylphenyl)carbonimidoyl]piperidin-1-yl]methanone
CID 145470599
[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane
CID 145470592
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
CID 44816346
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyrazin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 10296831
methyl 1-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62471193
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-thiophen-3-ylcarbonimidoyl)piperidin-1-yl]methanone
CID 59275029
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 62889539
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 58335010

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten?
The IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten (CID 145470600) is 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten.
What is the SMILES notation for 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten?
The canonical SMILES for 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten is CC.Nc1cc(CN2CCC(O)CC2)ccn1.O=C(C1CCCCC1)C1CC[N-]CC1.[W].
What is the InChIKey of 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten?
The InChIKey is KVAGZCCSBICEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO.C11H17N3O.C2H6.W/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;12-11-7-9(1-4-13-11)8-14-5-2-10(15)3-6-14;1-2;/h10-11H,1-9H2;1,4,7,10,15H,2-3,5-6,8H2,(H2,12,13);1-2H3;/q-1;;;.
What are the key properties of 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten?
1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten has a molecular weight of 615.49 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-pyridinyl)methyl]piperidin-4-ol;cyclohexyl(piperidin-1-id-4-yl)methanone;ethane;tungsten is sourced from PubChem (CID 145470600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).