N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine

C16H26N2 — CID 7577789

IUPACN-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine
SMILESCC(C)N[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-14(2)17-16(15-9-5-3-6-10-15)13-18-11-7-4-8-12-18/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3/t16-/m0/s1
InChIKeyMOSZAQRPQVSXBM-INIZCTEOSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds5

About N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine

N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine (PubChem CID 7577789) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine
PubChem CID7577789
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine
SMILESCC(C)N[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-14(2)17-16(15-9-5-3-6-10-15)13-18-11-7-4-8-12-18/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3/t16-/m0/s1
InChIKeyMOSZAQRPQVSXBM-INIZCTEOSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine?
The IUPAC name of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine (CID 7577789) is N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine.
What is the SMILES notation for N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine?
The canonical SMILES for N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine is CC(C)N[C@@H](CN1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine?
The InChIKey is MOSZAQRPQVSXBM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)17-16(15-9-5-3-6-10-15)13-18-11-7-4-8-12-18/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine?
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine is sourced from PubChem (CID 7577789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).