N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine

C21H30N4 — CID 124619726

IUPACN-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESCn1ccnc1[C@H](NC1CCN(CCc2ccccc2)CC1)C1CC1
InChIInChI=1S/C21H30N4/c1-24-16-12-22-21(24)20(18-7-8-18)23-19-10-14-25(15-11-19)13-9-17-5-3-2-4-6-17/h2-6,12,16,18-20,23H,7-11,13-15H2,1H3/t20-/m1/s1
InChIKeyXJHZDMIGOLFKPU-HXUWFJFHSA-N
MW338.50 g/mol
LogP3.17
Rot. Bonds7

About N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine

N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 124619726) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine
PubChem CID124619726
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC NameN-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESCn1ccnc1[C@H](NC1CCN(CCc2ccccc2)CC1)C1CC1
InChIInChI=1S/C21H30N4/c1-24-16-12-22-21(24)20(18-7-8-18)23-19-10-14-25(15-11-19)13-9-17-5-3-2-4-6-17/h2-6,12,16,18-20,23H,7-11,13-15H2,1H3/t20-/m1/s1
InChIKeyXJHZDMIGOLFKPU-HXUWFJFHSA-N
XLogP3.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-fluorophenyl)piperidin-4-amine
CID 125437238
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
(3R)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 99620217
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 50972662

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine (CID 124619726) is N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine is Cn1ccnc1[C@H](NC1CCN(CCc2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is XJHZDMIGOLFKPU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N4/c1-24-16-12-22-21(24)20(18-7-8-18)23-19-10-14-25(15-11-19)13-9-17-5-3-2-4-6-17/h2-6,12,16,18-20,23H,7-11,13-15H2,1H3/t20-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 338.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 124619726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).