[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol

C17H28N2O — CID 43714988

IUPAC[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
SMILESCCCN1CCCC(C(C)Nc2cccc(CO)c2)C1
InChIInChI=1S/C17H28N2O/c1-3-9-19-10-5-7-16(12-19)14(2)18-17-8-4-6-15(11-17)13-20/h4,6,8,11,14,16,18,20H,3,5,7,9-10,12-13H2,1-2H3
InChIKeyYGFNOZVRSOZESM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.10
Rot. Bonds6

About [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol

[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol (PubChem CID 43714988) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
PubChem CID43714988
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
SMILESCCCN1CCCC(C(C)Nc2cccc(CO)c2)C1
InChIInChI=1S/C17H28N2O/c1-3-9-19-10-5-7-16(12-19)14(2)18-17-8-4-6-15(11-17)13-20/h4,6,8,11,14,16,18,20H,3,5,7,9-10,12-13H2,1-2H3
InChIKeyYGFNOZVRSOZESM-UHFFFAOYSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol
CID 61237330
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 107620998
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308056
1-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyrazol-4-amine
CID 43534727
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 63011582
6-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-2-amine
CID 116812757
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
CID 43307335
2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308707

Frequently Asked Questions

What is the IUPAC name of [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol?
The IUPAC name of [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol (CID 43714988) is [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol.
What is the SMILES notation for [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol?
The canonical SMILES for [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol is CCCN1CCCC(C(C)Nc2cccc(CO)c2)C1.
What is the InChIKey of [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol?
The InChIKey is YGFNOZVRSOZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-9-19-10-5-7-16(12-19)14(2)18-17-8-4-6-15(11-17)13-20/h4,6,8,11,14,16,18,20H,3,5,7,9-10,12-13H2,1-2H3.
What are the key properties of [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol?
[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol has a molecular weight of 276.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol is sourced from PubChem (CID 43714988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).