(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone

C19H30N2O2 — CID 120814614

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-4-5-6-13-23-16-9-7-15(8-10-16)18(22)21-12-11-17(20)19(2,3)14-21/h7-10,17H,4-6,11-14,20H2,1-3H3
InChIKeyLGOYQBYURYWVQK-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.45
Rot. Bonds6

About (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone (PubChem CID 120814614) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
PubChem CID120814614
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-4-5-6-13-23-16-9-7-15(8-10-16)18(22)21-12-11-17(20)19(2,3)14-21/h7-10,17H,4-6,11-14,20H2,1-3H3
InChIKeyLGOYQBYURYWVQK-UHFFFAOYSA-N
XLogP3.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide
CID 120816522
[3-(aminomethyl)pyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119486348
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 120808706
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(3-bromopyrrolidin-1-yl)-(4-butoxyphenyl)methanone
CID 80677906

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone (CID 120814614) is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone is CCCCCOc1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone?
The InChIKey is LGOYQBYURYWVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-5-6-13-23-16-9-7-15(8-10-16)18(22)21-12-11-17(20)19(2,3)14-21/h7-10,17H,4-6,11-14,20H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone has a molecular weight of 318.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone is sourced from PubChem (CID 120814614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).