1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine

C18H26N2O — CID 28718379

IUPAC1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
SMILESC#CCOc1ccccc1CNC1CCN(CCC)CC1
InChIInChI=1S/C18H26N2O/c1-3-11-20-12-9-17(10-13-20)19-15-16-7-5-6-8-18(16)21-14-4-2/h2,5-8,17,19H,3,9-15H2,1H3
InChIKeyMHWQCSXZSXDUFM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.66
Rot. Bonds7

About 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine

1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine (PubChem CID 28718379) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
PubChem CID28718379
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
SMILESC#CCOc1ccccc1CNC1CCN(CCC)CC1
InChIInChI=1S/C18H26N2O/c1-3-11-20-12-9-17(10-13-20)19-15-16-7-5-6-8-18(16)21-14-4-2/h2,5-8,17,19H,3,9-15H2,1H3
InChIKeyMHWQCSXZSXDUFM-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
3,3-dimethyl-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 114544341
3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 103081772
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine
CID 29086962
2-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetonitrile
CID 43223576
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
3-piperidin-1-yl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 28657649
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399
4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one
CID 114155088
2-fluoro-3-[[(1-propylpiperidin-4-yl)amino]methyl]benzonitrile
CID 107114501

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine (CID 28718379) is 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine is C#CCOc1ccccc1CNC1CCN(CCC)CC1.
What is the InChIKey of 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is MHWQCSXZSXDUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-11-20-12-9-17(10-13-20)19-15-16-7-5-6-8-18(16)21-14-4-2/h2,5-8,17,19H,3,9-15H2,1H3.
What are the key properties of 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine?
1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 28718379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).