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

C16H26N2O — CID 103959777

IUPAC(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCC(N(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-4-16(19)14-7-5-6-8-15(14)18-11-9-13(10-12-18)17(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3/t16-/m0/s1
InChIKeyZEJKDEIKWGUFGM-INIZCTEOSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds4

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

(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol (PubChem CID 103959777) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
PubChem CID103959777
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCC(N(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-4-16(19)14-7-5-6-8-15(14)18-11-9-13(10-12-18)17(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3/t16-/m0/s1
InChIKeyZEJKDEIKWGUFGM-INIZCTEOSA-N
XLogP2.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol (CID 103959777) is (1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N1CCC(N(C)C)CC1.
What is the InChIKey of (1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol?
The InChIKey is ZEJKDEIKWGUFGM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(19)14-7-5-6-8-15(14)18-11-9-13(10-12-18)17(2)3/h5-8,13,16,19H,4,9-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol?
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.66, 4 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)piperidin-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 103959777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).