[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride

C17H27ClN2O — CID 119546057

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
SMILESCCCc1ccc(C(=O)N2CCC(CNC)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-4-14-5-7-16(8-6-14)17(20)19-11-9-15(10-12-19)13-18-2;/h5-8,15,18H,3-4,9-13H2,1-2H3;1H
InChIKeyMKRRUIUTEHRHJQ-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.13
Rot. Bonds5

About [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride

[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride (PubChem CID 119546057) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
PubChem CID119546057
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
SMILESCCCc1ccc(C(=O)N2CCC(CNC)CC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-4-14-5-7-16(8-6-14)17(20)19-11-9-15(10-12-19)13-18-2;/h5-8,15,18H,3-4,9-13H2,1-2H3;1H
InChIKeyMKRRUIUTEHRHJQ-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119541577
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride (CID 119546057) is [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride is CCCc1ccc(C(=O)N2CCC(CNC)CC2)cc1.Cl.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride?
The InChIKey is MKRRUIUTEHRHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-4-14-5-7-16(8-6-14)17(20)19-11-9-15(10-12-19)13-18-2;/h5-8,15,18H,3-4,9-13H2,1-2H3;1H.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride?
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119546057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).