(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol

C18H29NO2 — CID 753615

IUPAC(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OC[C@@H](O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H29NO2/c1-3-4-16-5-7-18(8-6-16)21-14-17(20)13-19-11-9-15(2)10-12-19/h5-8,15,17,20H,3-4,9-14H2,1-2H3/t17-/m0/s1
InChIKeySDSWGMRXRGFCQR-KRWDZBQOSA-N
MW291.44 g/mol
LogP3.11
Rot. Bonds7

About (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol

(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol (PubChem CID 753615) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
PubChem CID753615
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OC[C@@H](O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H29NO2/c1-3-4-16-5-7-18(8-6-16)21-14-17(20)13-19-11-9-15(2)10-12-19/h5-8,15,17,20H,3-4,9-14H2,1-2H3/t17-/m0/s1
InChIKeySDSWGMRXRGFCQR-KRWDZBQOSA-N
XLogP3.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 3615080
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride
CID 2770649
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 1039014

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol (CID 753615) is (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol is CCCc1ccc(OC[C@@H](O)CN2CCC(C)CC2)cc1.
What is the InChIKey of (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The InChIKey is SDSWGMRXRGFCQR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-4-16-5-7-18(8-6-16)21-14-17(20)13-19-11-9-15(2)10-12-19/h5-8,15,17,20H,3-4,9-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol is sourced from PubChem (CID 753615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).