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

C26H40N4O2 — CID 70277411

IUPAC1-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CN1CCC(N)CC1.COc1ccccc1CN1CCC(N)CC1
InChIInChI=1S/2C13H20N2O/c2*1-16-13-5-3-2-4-11(13)10-15-8-6-12(14)7-9-15/h2*2-5,12H,6-10,14H2,1H3
InChIKeyUGCBGXBGBICLKF-UHFFFAOYSA-N
MW440.63 g/mol
LogP3.24
Rot. Bonds6

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

1-[(2-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 70277411) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID70277411
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name1-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CN1CCC(N)CC1.COc1ccccc1CN1CCC(N)CC1
InChIInChI=1S/2C13H20N2O/c2*1-16-13-5-3-2-4-11(13)10-15-8-6-12(14)7-9-15/h2*2-5,12H,6-10,14H2,1H3
InChIKeyUGCBGXBGBICLKF-UHFFFAOYSA-N
XLogP3.24
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606
1-[(3-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 167713391
3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 69056339
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 39331813

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]piperidin-4-amine (CID 70277411) is 1-[(2-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]piperidin-4-amine is COc1ccccc1CN1CCC(N)CC1.COc1ccccc1CN1CCC(N)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is UGCBGXBGBICLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20N2O/c2*1-16-13-5-3-2-4-11(13)10-15-8-6-12(14)7-9-15/h2*2-5,12H,6-10,14H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
1-[(2-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 440.63 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 70277411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).