4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol

C18H28N2O — CID 3040612

IUPAC4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol
SMILESCCC(N)C1(O)CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C18H28N2O/c1-2-17(19)18(21)9-11-20(12-10-18)16-8-7-14-5-3-4-6-15(14)13-16/h3-6,16-17,21H,2,7-13,19H2,1H3
InChIKeyVXGFYNYJJBQWAR-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.11
Rot. Bonds3

About 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol

4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol (PubChem CID 3040612) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol
PubChem CID3040612
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol
SMILESCCC(N)C1(O)CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C18H28N2O/c1-2-17(19)18(21)9-11-20(12-10-18)16-8-7-14-5-3-4-6-15(14)13-16/h3-6,16-17,21H,2,7-13,19H2,1H3
InChIKeyVXGFYNYJJBQWAR-UHFFFAOYSA-N
XLogP2.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Piperidinol, 4-ethynyl-1-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 218056
4-Piperidinol, 4-acetyl-1-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 218082
Spiro(morpholine-2,4'-piperidine), 3-ethyl-1'-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 3040372
Spiro(oxazolidine-5,4'-piperidine), 3,4-diethyl-1'-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 3040373
4-Piperidinol, 4-(1-cyanopropyl)-1-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 3040613
4-Piperidinol, 4-(1-carbamoylpropyl)-1-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 3040614
1-prop-2-enyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-amine
CID 97602743
1-[(6-Amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 69513844
6-Di-hydroxy-2-(di-n-propylamino) tetralin
CID 129705449
2-Methyl-6-(1,2,3,4-tetrahydro-2-naphthalenylamino)-2-heptanol
CID 45927764
1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 18351299
N'-propyl-N'-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]butane-1,4-diamine
CID 18396652

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol?
The IUPAC name of 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol (CID 3040612) is 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol?
The canonical SMILES for 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol is CCC(N)C1(O)CCN(C2CCc3ccccc3C2)CC1.
What is the InChIKey of 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol?
The InChIKey is VXGFYNYJJBQWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-17(19)18(21)9-11-20(12-10-18)16-8-7-14-5-3-4-6-15(14)13-16/h3-6,16-17,21H,2,7-13,19H2,1H3.
What are the key properties of 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol?
4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol has a molecular weight of 288.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol is sourced from PubChem (CID 3040612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).