N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine

C13H22N4 — CID 142667116

IUPACN'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
SMILESNCCNC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H22N4/c14-6-8-16-12-4-9-17(10-5-12)11-13-3-1-2-7-15-13/h1-3,7,12,16H,4-6,8-11,14H2
InChIKeyGCLVIYZWVXZUNQ-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.59
Rot. Bonds5

About N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine

N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine (PubChem CID 142667116) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
PubChem CID142667116
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
SMILESNCCNC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H22N4/c14-6-8-16-12-4-9-17(10-5-12)11-13-3-1-2-7-15-13/h1-3,7,12,16H,4-6,8-11,14H2
InChIKeyGCLVIYZWVXZUNQ-UHFFFAOYSA-N
XLogP0.59
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 56823418
N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75382409
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75428219

Frequently Asked Questions

What is the IUPAC name of N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine (CID 142667116) is N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine is NCCNC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine?
The InChIKey is GCLVIYZWVXZUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c14-6-8-16-12-4-9-17(10-5-12)11-13-3-1-2-7-15-13/h1-3,7,12,16H,4-6,8-11,14H2.
What are the key properties of N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine?
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 142667116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).