(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride

C18H29ClN2O3 — CID 119376011

IUPAC(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCC(N)CC2)ccc1OCCC(C)C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(2)8-11-23-16-5-4-14(12-17(16)22-3)18(21)20-9-6-15(19)7-10-20;/h4-5,12-13,15H,6-11,19H2,1-3H3;1H
InChIKeyDKVZZLKAPAWSFW-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.11
Rot. Bonds6

About (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride (PubChem CID 119376011) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
PubChem CID119376011
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCC(N)CC2)ccc1OCCC(C)C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(2)8-11-23-16-5-4-14(12-17(16)22-3)18(21)20-9-6-15(19)7-10-20;/h4-5,12-13,15H,6-11,19H2,1-3H3;1H
InChIKeyDKVZZLKAPAWSFW-UHFFFAOYSA-N
XLogP3.11
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
1-[3-methoxy-4-(3-methylbutoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353645
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 55584266
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
[3-methoxy-4-(3-methylbutoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579815
N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55749510
N-(5-chloro-2-pyridinyl)-1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-4-carboxamide
CID 55931538
(3-aminopiperidin-1-yl)-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119379632
[3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306324
[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55507501

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride (CID 119376011) is (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride is COc1cc(C(=O)N2CCC(N)CC2)ccc1OCCC(C)C.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride?
The InChIKey is DKVZZLKAPAWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13(2)8-11-23-16-5-4-14(12-17(16)22-3)18(21)20-9-6-15(19)7-10-20;/h4-5,12-13,15H,6-11,19H2,1-3H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119376011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).