4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol

C18H28N2O — CID 115496143

IUPAC4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H28N2O/c1-14(12-15-4-6-18(21)7-5-15)20-10-8-17(9-11-20)19-13-16-2-3-16/h4-7,14,16-17,19,21H,2-3,8-13H2,1H3
InChIKeyCBHOQTFUIIBEIT-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.79
Rot. Bonds6

About 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol

4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol (PubChem CID 115496143) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
PubChem CID115496143
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H28N2O/c1-14(12-15-4-6-18(21)7-5-15)20-10-8-17(9-11-20)19-13-16-2-3-16/h4-7,14,16-17,19,21H,2-3,8-13H2,1H3
InChIKeyCBHOQTFUIIBEIT-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
CID 115496100
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472
3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
CID 115496186
N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine
CID 115307030
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol
CID 82976880
4-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol
CID 82979763
ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate
CID 115307352
N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 63848083
4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
CID 114541108
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
CID 113323158

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol?
The IUPAC name of 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol (CID 115496143) is 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol.
What is the SMILES notation for 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol?
The canonical SMILES for 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol is CC(Cc1ccc(O)cc1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol?
The InChIKey is CBHOQTFUIIBEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(12-15-4-6-18(21)7-5-15)20-10-8-17(9-11-20)19-13-16-2-3-16/h4-7,14,16-17,19,21H,2-3,8-13H2,1H3.
What are the key properties of 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol?
4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol has a molecular weight of 288.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol is sourced from PubChem (CID 115496143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).