(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol

C17H28N2O — CID 103959921

IUPAC(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCC(CN(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-4-17(20)15-7-5-6-8-16(15)19-11-9-14(10-12-19)13-18(2)3/h5-8,14,17,20H,4,9-13H2,1-3H3/t17-/m0/s1
InChIKeyWYBQXKHHFGGGDE-KRWDZBQOSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds5

About (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol

(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol (PubChem CID 103959921) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
PubChem CID103959921
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCC(CN(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-4-17(20)15-7-5-6-8-16(15)19-11-9-14(10-12-19)13-18(2)3/h5-8,14,17,20H,4,9-13H2,1-3H3/t17-/m0/s1
InChIKeyWYBQXKHHFGGGDE-KRWDZBQOSA-N
XLogP2.91
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 78934565
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
CID 115995958
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103959883
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 113359067
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
CID 103960202

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol (CID 103959921) is (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N1CCC(CN(C)C)CC1.
What is the InChIKey of (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol?
The InChIKey is WYBQXKHHFGGGDE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17(20)15-7-5-6-8-16(15)19-11-9-14(10-12-19)13-18(2)3/h5-8,14,17,20H,4,9-13H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol?
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 103959921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).