N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine

C17H28N2 — CID 79707519

IUPACN-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
SMILESCC(CCc1ccccc1)N(C)CC1CCNCC1
InChIInChI=1S/C17H28N2/c1-15(8-9-16-6-4-3-5-7-16)19(2)14-17-10-12-18-13-11-17/h3-7,15,17-18H,8-14H2,1-2H3
InChIKeyFPADTXHEBDNQDG-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine

N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine (PubChem CID 79707519) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
PubChem CID79707519
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
SMILESCC(CCc1ccccc1)N(C)CC1CCNCC1
InChIInChI=1S/C17H28N2/c1-15(8-9-16-6-4-3-5-7-16)19(2)14-17-10-12-18-13-11-17/h3-7,15,17-18H,8-14H2,1-2H3
InChIKeyFPADTXHEBDNQDG-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
CID 80558048
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
N-methyl-1-phenyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23292007
N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 63301804
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
3-benzyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 107654227
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
1-(2-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 112679240

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine?
The IUPAC name of N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine (CID 79707519) is N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine?
The canonical SMILES for N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine is CC(CCc1ccccc1)N(C)CC1CCNCC1.
What is the InChIKey of N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine?
The InChIKey is FPADTXHEBDNQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15(8-9-16-6-4-3-5-7-16)19(2)14-17-10-12-18-13-11-17/h3-7,15,17-18H,8-14H2,1-2H3.
What are the key properties of N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine?
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 79707519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).