(4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine

C14H22N2 — CID 117025761

IUPAC(4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine
SMILESCC1(C)CCN(c2ccccc2)CC1CN
InChIInChI=1S/C14H22N2/c1-14(2)8-9-16(11-12(14)10-15)13-6-4-3-5-7-13/h3-7,12H,8-11,15H2,1-2H3
InChIKeyRKFLYIWUCKLUMP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.50
Rot. Bonds2

About (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine

(4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine (PubChem CID 117025761) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine
PubChem CID117025761
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine
SMILESCC1(C)CCN(c2ccccc2)CC1CN
InChIInChI=1S/C14H22N2/c1-14(2)8-9-16(11-12(14)10-15)13-6-4-3-5-7-13/h3-7,12H,8-11,15H2,1-2H3
InChIKeyRKFLYIWUCKLUMP-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-butyl-4-methyl-1-phenylpiperidin-4-amine
CID 68689554
[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
CID 117025776
2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid
CID 117025549
[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117025837
1-(4-tert-butylphenyl)-4,4-dimethylpiperidin-3-amine
CID 117025265
(1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine
CID 117025757
1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone
CID 57060479
4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820460
(4-phenylpiperazin-2-yl)methanamine;trihydrochloride
CID 138393713
[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol
CID 117025849
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025109

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine?
The IUPAC name of (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine (CID 117025761) is (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine.
What is the SMILES notation for (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine?
The canonical SMILES for (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine is CC1(C)CCN(c2ccccc2)CC1CN.
What is the InChIKey of (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine?
The InChIKey is RKFLYIWUCKLUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2)8-9-16(11-12(14)10-15)13-6-4-3-5-7-13/h3-7,12H,8-11,15H2,1-2H3.
What are the key properties of (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine?
(4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine is sourced from PubChem (CID 117025761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).