1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine

C25H48N2 — CID 139501573

IUPAC1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine
SMILESCC(C)C1CCN(C(C)(C)CCC(C)(C)C2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C25H48N2/c1-20(2)22-9-17-27(18-10-22)25(5,6)14-13-24(3,4)23-11-15-26(16-12-23)19-21-7-8-21/h20-23H,7-19H2,1-6H3
InChIKeyHJRREZGCPUOKCX-UHFFFAOYSA-N
MW376.67 g/mol
LogP6.06
Rot. Bonds8

About 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine

1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine (PubChem CID 139501573) has the molecular formula C25H48N2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine
PubChem CID139501573
Molecular FormulaC25H48N2
Molecular Weight376.67 g/mol
Exact Mass376.38
IUPAC Name1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine
SMILESCC(C)C1CCN(C(C)(C)CCC(C)(C)C2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C25H48N2/c1-20(2)22-9-17-27(18-10-22)25(5,6)14-13-24(3,4)23-11-15-26(16-12-23)19-21-7-8-21/h20-23H,7-19H2,1-6H3
InChIKeyHJRREZGCPUOKCX-UHFFFAOYSA-N
XLogP6.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine (CID 139501573) is 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine is CC(C)C1CCN(C(C)(C)CCC(C)(C)C2CCN(CC3CC3)CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine?
The InChIKey is HJRREZGCPUOKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2/c1-20(2)22-9-17-27(18-10-22)25(5,6)14-13-24(3,4)23-11-15-26(16-12-23)19-21-7-8-21/h20-23H,7-19H2,1-6H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine?
1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine has a molecular weight of 376.67 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine is sourced from PubChem (CID 139501573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).