4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol

C17H28N2O — CID 107163202

IUPAC4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol
SMILESCCC(NCC1(C)CCN(C)CC1)c1ccc(O)cc1
InChIInChI=1S/C17H28N2O/c1-4-16(14-5-7-15(20)8-6-14)18-13-17(2)9-11-19(3)12-10-17/h5-8,16,18,20H,4,9-13H2,1-3H3
InChIKeyQTGSQJWSIMHFIN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.16
Rot. Bonds5

About 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol

4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol (PubChem CID 107163202) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol
PubChem CID107163202
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol
SMILESCCC(NCC1(C)CCN(C)CC1)c1ccc(O)cc1
InChIInChI=1S/C17H28N2O/c1-4-16(14-5-7-15(20)8-6-14)18-13-17(2)9-11-19(3)12-10-17/h5-8,16,18,20H,4,9-13H2,1-3H3
InChIKeyQTGSQJWSIMHFIN-UHFFFAOYSA-N
XLogP3.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[1-(dimethylamino)cyclopentyl]methylamino]propyl]phenol
CID 83116508
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine
CID 107163253
1-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
CID 55260439
4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol
CID 114115711
4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol
CID 81131200
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid
CID 107164520
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol
CID 104584163
N-[(1,4-dimethylpiperidin-4-yl)methyl]pent-1-yn-3-amine
CID 107163558
4-[1-(piperidin-1-ylamino)propyl]phenol
CID 83006476
4-[1-(2,2-dimethoxyethylamino)propyl]phenol
CID 54921747
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol?
The IUPAC name of 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol (CID 107163202) is 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol?
The canonical SMILES for 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol is CCC(NCC1(C)CCN(C)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol?
The InChIKey is QTGSQJWSIMHFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-16(14-5-7-15(20)8-6-14)18-13-17(2)9-11-19(3)12-10-17/h5-8,16,18,20H,4,9-13H2,1-3H3.
What are the key properties of 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol?
4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol is sourced from PubChem (CID 107163202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).