N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine

C22H45N2P — CID 177318158

IUPACN-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine
SMILESCC(P)CN(C)C(C)(C)C1CCN(CC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C22H45N2P/c1-17(2)20-9-7-19(8-10-20)16-24-13-11-21(12-14-24)22(4,5)23(6)15-18(3)25/h17-21H,7-16,25H2,1-6H3
InChIKeyNHFKJOMIDYJQSB-UHFFFAOYSA-N
MW368.59 g/mol
LogP5.13
Rot. Bonds7

About N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine

N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine (PubChem CID 177318158) has the molecular formula C22H45N2P and a molecular weight of 368.59 g/mol. Its IUPAC name is N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine
PubChem CID177318158
Molecular FormulaC22H45N2P
Molecular Weight368.59 g/mol
Exact Mass368.33
IUPAC NameN-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine
SMILESCC(P)CN(C)C(C)(C)C1CCN(CC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C22H45N2P/c1-17(2)20-9-7-19(8-10-20)16-24-13-11-21(12-14-24)22(4,5)23(6)15-18(3)25/h17-21H,7-16,25H2,1-6H3
InChIKeyNHFKJOMIDYJQSB-UHFFFAOYSA-N
XLogP5.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine
CID 139501573
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 170953584
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 172511697
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine
CID 155068602
4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine
CID 156551459

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine?
The IUPAC name of N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine (CID 177318158) is N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine is CC(P)CN(C)C(C)(C)C1CCN(CC2CCC(C(C)C)CC2)CC1.
What is the InChIKey of N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine?
The InChIKey is NHFKJOMIDYJQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N2P/c1-17(2)20-9-7-19(8-10-20)16-24-13-11-21(12-14-24)22(4,5)23(6)15-18(3)25/h17-21H,7-16,25H2,1-6H3.
What are the key properties of N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine?
N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine has a molecular weight of 368.59 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine is sourced from PubChem (CID 177318158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).