3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol

C18H30N2O — CID 43748462

IUPAC3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
SMILESCCCN1CCC(C(C)NC(C)c2cccc(O)c2)CC1
InChIInChI=1S/C18H30N2O/c1-4-10-20-11-8-16(9-12-20)14(2)19-15(3)17-6-5-7-18(21)13-17/h5-7,13-16,19,21H,4,8-12H2,1-3H3
InChIKeyJHLFTAYGMWXQJI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.55
Rot. Bonds6

About 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol

3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol (PubChem CID 43748462) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
PubChem CID43748462
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
SMILESCCCN1CCC(C(C)NC(C)c2cccc(O)c2)CC1
InChIInChI=1S/C18H30N2O/c1-4-10-20-11-8-16(9-12-20)14(2)19-15(3)17-6-5-7-18(21)13-17/h5-7,13-16,19,21H,4,8-12H2,1-3H3
InChIKeyJHLFTAYGMWXQJI-UHFFFAOYSA-N
XLogP3.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43308271
1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
CID 81405583
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81403845
2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 65467589
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 43692479
3-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol (CID 43748462) is 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol is CCCN1CCC(C(C)NC(C)c2cccc(O)c2)CC1.
What is the InChIKey of 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol?
The InChIKey is JHLFTAYGMWXQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-10-20-11-8-16(9-12-20)14(2)19-15(3)17-6-5-7-18(21)13-17/h5-7,13-16,19,21H,4,8-12H2,1-3H3.
What are the key properties of 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol?
3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43748462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).