N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine

C17H28N2 — CID 164750242

IUPACN,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine
SMILESC[C@H]1CC[C@H](c2cccc(CCCN(C)C)c2)NC1
InChIInChI=1S/C17H28N2/c1-14-9-10-17(18-13-14)16-8-4-6-15(12-16)7-5-11-19(2)3/h4,6,8,12,14,17-18H,5,7,9-11,13H2,1-3H3/t14-,17+/m0/s1
InChIKeyATOGRNOFUBLGEQ-WMLDXEAASA-N
MW260.43 g/mol
LogP3.24
Rot. Bonds5

About N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine

N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine (PubChem CID 164750242) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine
PubChem CID164750242
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine
SMILESC[C@H]1CC[C@H](c2cccc(CCCN(C)C)c2)NC1
InChIInChI=1S/C17H28N2/c1-14-9-10-17(18-13-14)16-8-4-6-15(12-16)7-5-11-19(2)3/h4,6,8,12,14,17-18H,5,7,9-11,13H2,1-3H3/t14-,17+/m0/s1
InChIKeyATOGRNOFUBLGEQ-WMLDXEAASA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine (CID 164750242) is N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine is C[C@H]1CC[C@H](c2cccc(CCCN(C)C)c2)NC1.
What is the InChIKey of N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine?
The InChIKey is ATOGRNOFUBLGEQ-WMLDXEAASA-N. The full InChI is InChI=1S/C17H28N2/c1-14-9-10-17(18-13-14)16-8-4-6-15(12-16)7-5-11-19(2)3/h4,6,8,12,14,17-18H,5,7,9-11,13H2,1-3H3/t14-,17+/m0/s1.
What are the key properties of N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine?
N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine is sourced from PubChem (CID 164750242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).