(2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine

C16H23NO — CID 129201695

IUPAC(2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine
SMILESc1ccc(C[C@H]2CC[C@H](OCC3CC3)CN2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-13(5-3-1)10-15-8-9-16(11-17-15)18-12-14-6-7-14/h1-5,14-17H,6-12H2/t15-,16+/m1/s1
InChIKeyOGNIDAVTLGWTQJ-CVEARBPZSA-N
MW245.37 g/mol
LogP2.78
Rot. Bonds5

About (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine

(2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine (PubChem CID 129201695) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine.

Molecular Properties

Compound Name(2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine
PubChem CID129201695
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine
SMILESc1ccc(C[C@H]2CC[C@H](OCC3CC3)CN2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-13(5-3-1)10-15-8-9-16(11-17-15)18-12-14-6-7-14/h1-5,14-17H,6-12H2/t15-,16+/m1/s1
InChIKeyOGNIDAVTLGWTQJ-CVEARBPZSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine?
The IUPAC name of (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine (CID 129201695) is (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine.
What is the SMILES notation for (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine?
The canonical SMILES for (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine is c1ccc(C[C@H]2CC[C@H](OCC3CC3)CN2)cc1.
What is the InChIKey of (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine?
The InChIKey is OGNIDAVTLGWTQJ-CVEARBPZSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-4-13(5-3-1)10-15-8-9-16(11-17-15)18-12-14-6-7-14/h1-5,14-17H,6-12H2/t15-,16+/m1/s1.
What are the key properties of (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine?
(2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine has a molecular weight of 245.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine is sourced from PubChem (CID 129201695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).