N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine

C18H31N3 — CID 96552855

IUPACN'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)C[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H31N3/c1-16(2)20(13-11-19)15-18-10-6-7-12-21(18)14-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,19H2,1-2H3/t18-/m1/s1
InChIKeyYLLYGCVGZPBFDU-GOSISDBHSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds7

About N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine

N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 96552855) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID96552855
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)C[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H31N3/c1-16(2)20(13-11-19)15-18-10-6-7-12-21(18)14-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,19H2,1-2H3/t18-/m1/s1
InChIKeyYLLYGCVGZPBFDU-GOSISDBHSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226081
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2-chloro-N-propan-2-ylacetamide
CID 96552886
2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
CID 77143825
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
CID 96553026
(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
CID 96553072
(2S)-2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethyl-3-methylbutanamide
CID 96553087
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine (CID 96552855) is N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)C[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is YLLYGCVGZPBFDU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H31N3/c1-16(2)20(13-11-19)15-18-10-6-7-12-21(18)14-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15,19H2,1-2H3/t18-/m1/s1.
What are the key properties of N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine?
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 96552855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).