N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride

C20H28ClN3 — CID 120841570

IUPACN-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCc1ccc2cc(CN3CCC(NCC4CC4)CC3)ccc2n1.Cl
InChIInChI=1S/C20H27N3.ClH/c1-15-2-6-18-12-17(5-7-20(18)22-15)14-23-10-8-19(9-11-23)21-13-16-3-4-16;/h2,5-7,12,16,19,21H,3-4,8-11,13-14H2,1H3;1H
InChIKeyKFTOMRSTWIHYBN-UHFFFAOYSA-N
MW345.92 g/mol
LogP3.93
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120841570) has the molecular formula C20H28ClN3 and a molecular weight of 345.92 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120841570
Molecular FormulaC20H28ClN3
Molecular Weight345.92 g/mol
Exact Mass345.20
IUPAC NameN-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCc1ccc2cc(CN3CCC(NCC4CC4)CC3)ccc2n1.Cl
InChIInChI=1S/C20H27N3.ClH/c1-15-2-6-18-12-17(5-7-20(18)22-15)14-23-10-8-19(9-11-23)21-13-16-3-4-16;/h2,5-7,12,16,19,21H,3-4,8-11,13-14H2,1H3;1H
InChIKeyKFTOMRSTWIHYBN-UHFFFAOYSA-N
XLogP3.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976
6-[(3-methoxypiperidin-1-yl)methyl]-2-methylquinoline
CID 126778484
4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
CID 105378440
N-(cyclopropylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-amine
CID 115307348
2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline
CID 167445695
(3S)-N-[(2-methylquinolin-6-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 100642514
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
CID 105379000
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine
CID 114937568
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride (CID 120841570) is N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride is Cc1ccc2cc(CN3CCC(NCC4CC4)CC3)ccc2n1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is KFTOMRSTWIHYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3.ClH/c1-15-2-6-18-12-17(5-7-20(18)22-15)14-23-10-8-19(9-11-23)21-13-16-3-4-16;/h2,5-7,12,16,19,21H,3-4,8-11,13-14H2,1H3;1H.
What are the key properties of N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120841570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).