(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine

C18H26Cl2N2O — CID 70898972

IUPAC(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine
SMILESCO[C@@H]1CN(C2CCNCC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O/c1-23-18-12-22(15-4-7-21-8-5-15)9-6-14(18)10-13-2-3-16(19)17(20)11-13/h2-3,11,14-15,18,21H,4-10,12H2,1H3/t14-,18-/m1/s1
InChIKeyQXKXTXYYIZMFJX-RDTXWAMCSA-N
MW357.33 g/mol
LogP3.62
Rot. Bonds4

About (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine

(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine (PubChem CID 70898972) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine
PubChem CID70898972
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine
SMILESCO[C@@H]1CN(C2CCNCC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O/c1-23-18-12-22(15-4-7-21-8-5-15)9-6-14(18)10-13-2-3-16(19)17(20)11-13/h2-3,11,14-15,18,21H,4-10,12H2,1H3/t14-,18-/m1/s1
InChIKeyQXKXTXYYIZMFJX-RDTXWAMCSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine?
The IUPAC name of (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine (CID 70898972) is (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine.
What is the SMILES notation for (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine?
The canonical SMILES for (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine is CO[C@@H]1CN(C2CCNCC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine?
The InChIKey is QXKXTXYYIZMFJX-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-23-18-12-22(15-4-7-21-8-5-15)9-6-14(18)10-13-2-3-16(19)17(20)11-13/h2-3,11,14-15,18,21H,4-10,12H2,1H3/t14-,18-/m1/s1.
What are the key properties of (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine?
(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine has a molecular weight of 357.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 70898972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).