1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine

C16H32N2 — CID 126703854

IUPAC1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(C[C@H](C)C2CCNCC2)C1
InChIInChI=1S/C16H32N2/c1-13(2)16-5-4-10-18(12-16)11-14(3)15-6-8-17-9-7-15/h13-17H,4-12H2,1-3H3/t14-,16?/m0/s1
InChIKeyXONTZOVMQJSUQB-LBAUFKAWSA-N
MW252.45 g/mol
LogP2.99
Rot. Bonds4

About 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine

1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine (PubChem CID 126703854) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine
PubChem CID126703854
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(C[C@H](C)C2CCNCC2)C1
InChIInChI=1S/C16H32N2/c1-13(2)16-5-4-10-18(12-16)11-14(3)15-6-8-17-9-7-15/h13-17H,4-12H2,1-3H3/t14-,16?/m0/s1
InChIKeyXONTZOVMQJSUQB-LBAUFKAWSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cycloheptylpropyl)piperazine
CID 82509737
1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
CID 116679193
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167698824
3-bromo-1-(2-cyclobutylpropyl)pyrrolidine
CID 130804419
4-(1-cyclopentylpropan-2-yl)piperidine
CID 131198877
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
6-(2-cycloundecylpropyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 123944575
4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]piperidine
CID 148627531
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine
CID 170053035
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine?
The IUPAC name of 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine (CID 126703854) is 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine.
What is the SMILES notation for 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine?
The canonical SMILES for 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine is CC(C)C1CCCN(C[C@H](C)C2CCNCC2)C1.
What is the InChIKey of 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine?
The InChIKey is XONTZOVMQJSUQB-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)16-5-4-10-18(12-16)11-14(3)15-6-8-17-9-7-15/h13-17H,4-12H2,1-3H3/t14-,16?/m0/s1.
What are the key properties of 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine?
1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine has a molecular weight of 252.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine is sourced from PubChem (CID 126703854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).