[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine

C16H24N2O — CID 117405750

IUPAC[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
SMILESCN1CCC(Oc2cccc(C3(CN)CC3)c2)CC1
InChIInChI=1S/C16H24N2O/c1-18-9-5-14(6-10-18)19-15-4-2-3-13(11-15)16(12-17)7-8-16/h2-4,11,14H,5-10,12,17H2,1H3
InChIKeyHVDUUNZZASWBCU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.15
Rot. Bonds4

About [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine

[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine (PubChem CID 117405750) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
PubChem CID117405750
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
SMILESCN1CCC(Oc2cccc(C3(CN)CC3)c2)CC1
InChIInChI=1S/C16H24N2O/c1-18-9-5-14(6-10-18)19-15-4-2-3-13(11-15)16(12-17)7-8-16/h2-4,11,14H,5-10,12,17H2,1H3
InChIKeyHVDUUNZZASWBCU-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
CID 79580
1-(6-{[4-(1,1-Dimethylethyl)phenyl]oxy}hexyl)piperazine
CID 410637
3-(Cyclopropylmethyl)-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 9798145
3-Ethyl-7-(3-piperidin-1-yl-propoxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9973087
3-cyclobutyl-7-(piperidin-4-yloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 68506105
(S)-1-Propyl-3-[3-(2,2,2-trifluoro-ethoxy)-phenyl]-piperidine
CID 10380129
3-[3,4-Dimethyl-1-(3-phenoxy-propyl)-piperidin-4-yl]-phenol
CID 10315157
Dimethyl-{2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-ethyl}-amine
CID 11694965
4-(4-Butoxyphenyl)-1-propylpiperidine
CID 57387305
1-(3-(4-Tert-butylphenoxy)propyl)piperidine
CID 2057752
7-(3-piperidin-1-yl-propoxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9971374
7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10266140

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine (CID 117405750) is [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine is CN1CCC(Oc2cccc(C3(CN)CC3)c2)CC1.
What is the InChIKey of [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine?
The InChIKey is HVDUUNZZASWBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-9-5-14(6-10-18)19-15-4-2-3-13(11-15)16(12-17)7-8-16/h2-4,11,14H,5-10,12,17H2,1H3.
What are the key properties of [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine?
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117405750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).