1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol

C17H28N2O2 — CID 115716647

IUPAC1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC1CN(C)CCC1NCC(O)COCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14-11-19(2)9-8-17(14)18-10-16(20)13-21-12-15-6-4-3-5-7-15/h3-7,14,16-18,20H,8-13H2,1-2H3
InChIKeyBLWPFQRKAVDMPO-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.49
Rot. Bonds7

About 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol

1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 115716647) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID115716647
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC1CN(C)CCC1NCC(O)COCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14-11-19(2)9-8-17(14)18-10-16(20)13-21-12-15-6-4-3-5-7-15/h3-7,14,16-18,20H,8-13H2,1-2H3
InChIKeyBLWPFQRKAVDMPO-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 60901722
1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol
CID 64742870
(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
CID 104931127
(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol
CID 95751212
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114503518
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 54949730
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
CID 21236643

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol (CID 115716647) is 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol is CC1CN(C)CCC1NCC(O)COCc1ccccc1.
What is the InChIKey of 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is BLWPFQRKAVDMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14-11-19(2)9-8-17(14)18-10-16(20)13-21-12-15-6-4-3-5-7-15/h3-7,14,16-18,20H,8-13H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol?
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 115716647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).