3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine

C14H26N2 — CID 84687927

IUPAC3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine
SMILESC1CCN(CC2(CC3CC3)CCCNC2)C1
InChIInChI=1S/C14H26N2/c1-2-9-16(8-1)12-14(10-13-4-5-13)6-3-7-15-11-14/h13,15H,1-12H2
InChIKeyDLOIBUINSFMQCF-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds4

About 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine

3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 84687927) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID84687927
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine
SMILESC1CCN(CC2(CC3CC3)CCCNC2)C1
InChIInChI=1S/C14H26N2/c1-2-9-16(8-1)12-14(10-13-4-5-13)6-3-7-15-11-14/h13,15H,1-12H2
InChIKeyDLOIBUINSFMQCF-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine (CID 84687927) is 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine is C1CCN(CC2(CC3CC3)CCCNC2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is DLOIBUINSFMQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-9-16(8-1)12-14(10-13-4-5-13)6-3-7-15-11-14/h13,15H,1-12H2.
What are the key properties of 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine?
3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 84687927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).