1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride

C20H30ClN3O2 — CID 119469695

IUPAC1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H29N3O2.ClH/c21-14-18-10-4-5-12-23(18)20(25)17-9-6-11-22(15-17)19(24)13-16-7-2-1-3-8-16;/h1-3,7-8,17-18H,4-6,9-15,21H2;1H
InChIKeyNLRZDTQIAGJQQF-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.23
Rot. Bonds4

About 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride

1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119469695) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119469695
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H29N3O2.ClH/c21-14-18-10-4-5-12-23(18)20(25)17-9-6-11-22(15-17)19(24)13-16-7-2-1-3-8-16;/h1-3,7-8,17-18H,4-6,9-15,21H2;1H
InChIKeyNLRZDTQIAGJQQF-UHFFFAOYSA-N
XLogP2.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119487183
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 119632537
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95297085
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119520839
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(benzenesulfonyl)piperidin-3-yl]methanone;hydrochloride
CID 119632895
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride (CID 119469695) is 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride is Cl.NCC1CCCCN1C(=O)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is NLRZDTQIAGJQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c21-14-18-10-4-5-12-23(18)20(25)17-9-6-11-22(15-17)19(24)13-16-7-2-1-3-8-16;/h1-3,7-8,17-18H,4-6,9-15,21H2;1H.
What are the key properties of 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119469695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).