1-[(2-butoxyphenyl)methyl]piperidin-4-amine

C16H26N2O — CID 39257236

IUPAC1-[(2-butoxyphenyl)methyl]piperidin-4-amine
SMILESCCCCOc1ccccc1CN1CCC(N)CC1
InChIInChI=1S/C16H26N2O/c1-2-3-12-19-16-7-5-4-6-14(16)13-18-10-8-15(17)9-11-18/h4-7,15H,2-3,8-13,17H2,1H3
InChIKeyYTWGIIUZPZNHMO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds6

About 1-[(2-butoxyphenyl)methyl]piperidin-4-amine

1-[(2-butoxyphenyl)methyl]piperidin-4-amine (PubChem CID 39257236) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(2-butoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-butoxyphenyl)methyl]piperidin-4-amine
PubChem CID39257236
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[(2-butoxyphenyl)methyl]piperidin-4-amine
SMILESCCCCOc1ccccc1CN1CCC(N)CC1
InChIInChI=1S/C16H26N2O/c1-2-3-12-19-16-7-5-4-6-14(16)13-18-10-8-15(17)9-11-18/h4-7,15H,2-3,8-13,17H2,1H3
InChIKeyYTWGIIUZPZNHMO-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
2-[2-[(4-aminoazepan-1-yl)methyl]phenoxy]ethanol;dihydrochloride
CID 154900743
(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
CID 99941836
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786
3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856258
(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99927491
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138385382
1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 39331813

Frequently Asked Questions

What is the IUPAC name of 1-[(2-butoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-butoxyphenyl)methyl]piperidin-4-amine (CID 39257236) is 1-[(2-butoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-butoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-butoxyphenyl)methyl]piperidin-4-amine is CCCCOc1ccccc1CN1CCC(N)CC1.
What is the InChIKey of 1-[(2-butoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is YTWGIIUZPZNHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-12-19-16-7-5-4-6-14(16)13-18-10-8-15(17)9-11-18/h4-7,15H,2-3,8-13,17H2,1H3.
What are the key properties of 1-[(2-butoxyphenyl)methyl]piperidin-4-amine?
1-[(2-butoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 39257236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).