3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine

C21H28N2O — CID 120776218

IUPAC3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2cccc(OCc3ccccc3)c2)CCC1N
InChIInChI=1S/C21H28N2O/c1-21(2)16-23(12-11-20(21)22)14-18-9-6-10-19(13-18)24-15-17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-16,22H2,1-2H3
InChIKeyFNSYZQBNTLUGPU-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.82
Rot. Bonds5

About 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine

3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 120776218) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
PubChem CID120776218
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2cccc(OCc3ccccc3)c2)CCC1N
InChIInChI=1S/C21H28N2O/c1-21(2)16-23(12-11-20(21)22)14-18-9-6-10-19(13-18)24-15-17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-16,22H2,1-2H3
InChIKeyFNSYZQBNTLUGPU-UHFFFAOYSA-N
XLogP3.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 39308220
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 120774440
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 74248786
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine (CID 120776218) is 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine is CC1(C)CN(Cc2cccc(OCc3ccccc3)c2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is FNSYZQBNTLUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-21(2)16-23(12-11-20(21)22)14-18-9-6-10-19(13-18)24-15-17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-16,22H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 120776218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).