N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine

C21H26N2 — CID 45250257

IUPACN-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
SMILESc1ccc(CNC2CCCN(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C21H26N2/c1-2-7-17(8-3-1)15-22-20-11-6-12-23(16-20)21-13-18-9-4-5-10-19(18)14-21/h1-5,7-10,20-22H,6,11-16H2
InChIKeyYCBBJYXSMLOCIB-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.41
Rot. Bonds4

About N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine

N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine (PubChem CID 45250257) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
PubChem CID45250257
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
SMILESc1ccc(CNC2CCCN(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C21H26N2/c1-2-7-17(8-3-1)15-22-20-11-6-12-23(16-20)21-13-18-9-4-5-10-19(18)14-21/h1-5,7-10,20-22H,6,11-16H2
InChIKeyYCBBJYXSMLOCIB-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 29150876
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-phenylpiperidin-3-amine
CID 26397977
1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 45171415
(3R)-N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 51901465
1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine
CID 45212041
(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 30675416
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581
N-benzyl-1-(2-chloroethyl)piperidin-3-amine
CID 131162483
benzene;N-benzylcyclohexanamine
CID 142622843

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
The IUPAC name of N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine (CID 45250257) is N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine.
What is the SMILES notation for N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
The canonical SMILES for N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine is c1ccc(CNC2CCCN(C3Cc4ccccc4C3)C2)cc1.
What is the InChIKey of N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
The InChIKey is YCBBJYXSMLOCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-7-17(8-3-1)15-22-20-11-6-12-23(16-20)21-13-18-9-4-5-10-19(18)14-21/h1-5,7-10,20-22H,6,11-16H2.
What are the key properties of N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine?
N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine has a molecular weight of 306.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine is sourced from PubChem (CID 45250257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).