N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine

C16H24N2 — CID 96555707

IUPACN-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
SMILESc1ccc(CN(C[C@@H]2CCCNC2)C2CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-5-14(6-3-1)12-18(16-8-9-16)13-15-7-4-10-17-11-15/h1-3,5-6,15-17H,4,7-13H2/t15-/m1/s1
InChIKeyHMRSLQPQXNFITK-OAHLLOKOSA-N
MW244.38 g/mol
LogP2.65
Rot. Bonds5

About N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine

N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 96555707) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
PubChem CID96555707
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
SMILESc1ccc(CN(C[C@@H]2CCCNC2)C2CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-5-14(6-3-1)12-18(16-8-9-16)13-15-7-4-10-17-11-15/h1-3,5-6,15-17H,4,7-13H2/t15-/m1/s1
InChIKeyHMRSLQPQXNFITK-OAHLLOKOSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine
CID 97168574
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624874
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625030
3-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107119079

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine (CID 96555707) is N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine is c1ccc(CN(C[C@@H]2CCCNC2)C2CC2)cc1.
What is the InChIKey of N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is HMRSLQPQXNFITK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-5-14(6-3-1)12-18(16-8-9-16)13-15-7-4-10-17-11-15/h1-3,5-6,15-17H,4,7-13H2/t15-/m1/s1.
What are the key properties of N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine?
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 244.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 96555707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).