(1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol

C15H29N3O — CID 70252269

IUPAC(1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCCC1NC1CCN([C@H]2CCNC2)CC1
InChIInChI=1S/C15H29N3O/c19-15-4-2-1-3-14(15)17-12-6-9-18(10-7-12)13-5-8-16-11-13/h12-17,19H,1-11H2/t13-,14?,15-/m0/s1
InChIKeyQLBYXSWHNGZURL-LWEDLAQUSA-N
MW267.42 g/mol
LogP0.71
Rot. Bonds3

About (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol

(1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 70252269) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID70252269
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCCC1NC1CCN([C@H]2CCNC2)CC1
InChIInChI=1S/C15H29N3O/c19-15-4-2-1-3-14(15)17-12-6-9-18(10-7-12)13-5-8-16-11-13/h12-17,19H,1-11H2/t13-,14?,15-/m0/s1
InChIKeyQLBYXSWHNGZURL-LWEDLAQUSA-N
XLogP0.71
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol (CID 70252269) is (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol is O[C@H]1CCCCC1NC1CCN([C@H]2CCNC2)CC1.
What is the InChIKey of (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is QLBYXSWHNGZURL-LWEDLAQUSA-N. The full InChI is InChI=1S/C15H29N3O/c19-15-4-2-1-3-14(15)17-12-6-9-18(10-7-12)13-5-8-16-11-13/h12-17,19H,1-11H2/t13-,14?,15-/m0/s1.
What are the key properties of (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
(1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 70252269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).