trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine

C23H31N2OP — CID 71507056

IUPACtrans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine
SMILESO=P(N[C@@H]1CCCC[C@H]1N1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N2OP/c26-27(20-12-4-1-5-13-20,21-14-6-2-7-15-21)24-22-16-8-9-17-23(22)25-18-10-3-11-19-25/h1-2,4-7,12-15,22-23H,3,8-11,16-19H2,(H,24,26)/t22-,23-/m1/s1
InChIKeyRMFHCVDPTHDALA-DHIUTWEWSA-N
MW382.49 g/mol
LogP4.30
Rot. Bonds5

About trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine

trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine (PubChem CID 71507056) has the molecular formula C23H31N2OP and a molecular weight of 382.49 g/mol. Its IUPAC name is trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine
PubChem CID71507056
Molecular FormulaC23H31N2OP
Molecular Weight382.49 g/mol
Exact Mass382.22
IUPAC Nametrans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine
SMILESO=P(N[C@@H]1CCCC[C@H]1N1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N2OP/c26-27(20-12-4-1-5-13-20,21-14-6-2-7-15-21)24-22-16-8-9-17-23(22)25-18-10-3-11-19-25/h1-2,4-7,12-15,22-23H,3,8-11,16-19H2,(H,24,26)/t22-,23-/m1/s1
InChIKeyRMFHCVDPTHDALA-DHIUTWEWSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline
CID 86338512
trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
CID 125470128
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea
CID 78891490
trans-(1S,2S)-1-N,2-N-bis(diphenylphosphinothioyl)cyclohexane-1,2-diamine
CID 102079929
2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
CID 57215948
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)
CID 175947269
lithium [(diphenylphosphorylamino)-phenylphosphoryl]benzene
CID 59044615
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine (CID 71507056) is trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine is O=P(N[C@@H]1CCCC[C@H]1N1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine?
The InChIKey is RMFHCVDPTHDALA-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H31N2OP/c26-27(20-12-4-1-5-13-20,21-14-6-2-7-15-21)24-22-16-8-9-17-23(22)25-18-10-3-11-19-25/h1-2,4-7,12-15,22-23H,3,8-11,16-19H2,(H,24,26)/t22-,23-/m1/s1.
What are the key properties of trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine?
trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine has a molecular weight of 382.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-diphenylphosphoryl-2-piperidin-1-ylcyclohexan-1-amine is sourced from PubChem (CID 71507056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).