[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone

C17H26N2O2 — CID 112537605

IUPAC[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
SMILESCCC(O)C1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-4-16(20)13-9-11-19(12-10-13)17(21)14-5-7-15(8-6-14)18(2)3/h5-8,13,16,20H,4,9-12H2,1-3H3
InChIKeyUHNXLVKHDNSFQO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.38
Rot. Bonds4

About [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone (PubChem CID 112537605) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
PubChem CID112537605
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
SMILESCCC(O)C1CCN(C(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-4-16(20)13-9-11-19(12-10-13)17(21)14-5-7-15(8-6-14)18(2)3/h5-8,13,16,20H,4,9-12H2,1-3H3
InChIKeyUHNXLVKHDNSFQO-UHFFFAOYSA-N
XLogP2.38
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
[4-(dimethylamino)phenyl]-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 99948127
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119564141
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone (CID 112537605) is [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone is CCC(O)C1CCN(C(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone?
The InChIKey is UHNXLVKHDNSFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-16(20)13-9-11-19(12-10-13)17(21)14-5-7-15(8-6-14)18(2)3/h5-8,13,16,20H,4,9-12H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 112537605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).